1-[4-(2-nitrophenoxy)butyl]piperazin-4-ium

Systemtic Name: 1-[4-(2-nitrophenoxy)butyl]piperazin-4-ium Openeye Name: 1-[4-(2-nitrophenoxy)butyl]piperazin-4-ium CAS Name: 1-[4-(2-nitrophenoxy)butyl]piperazin-4-ium IUPAC Name: 1-[4-(2-nitrophenoxy)butyl]piperazin-4-ium Traditional Name: 1-[4-(2-nitrophenoxy)butyl]piperazin-4-ium Formula: C14H22N3O3+ MolecularWeight: 280.34278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCCCOC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)CCCCOC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O3/c18-17(19)13-5-1-2-6-14(13)20-12-4-3-9-16-10-7-15-8-11-16/h1-2,5-6,15H,3-4,7-12H2/p+1